REMARK Name = BDB063386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.442 -0.569 0.616 0.00 0.00 +0.100 C ATOM 2 C LIG 1 -2.393 0.601 0.433 0.00 0.00 +0.211 C ATOM 3 O LIG 1 -2.066 1.764 0.654 0.00 0.00 -0.285 OA ATOM 4 C LIG 1 -3.763 0.365 -0.028 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -4.227 -0.907 -0.267 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -5.492 -1.171 -0.699 0.00 0.00 -0.251 NA ATOM 7 C LIG 1 -6.317 -0.121 -0.893 0.00 0.00 +0.111 A ATOM 8 C LIG 1 -5.939 1.192 -0.677 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -3.348 -2.070 -0.055 0.00 0.00 +0.225 C ATOM 10 O LIG 1 -3.759 -3.209 -0.255 0.00 0.00 -0.284 OA ATOM 11 C LIG 1 -4.640 1.437 -0.238 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -1.953 -1.801 0.401 0.00 0.00 +0.114 C ATOM 13 CL LIG 1 -1.026 -3.253 0.666 0.00 0.00 -0.077 Cl ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 1.843 0.297 1.198 0.00 0.00 +0.107 C ATOM 15 C LIG 1 1.081 -0.954 0.727 0.00 0.00 +0.129 C ATOM 16 N LIG 1 -0.142 -0.257 1.046 0.00 0.00 -0.322 N ATOM 17 C LIG 1 0.513 1.027 0.960 0.00 0.00 +0.129 C BRANCH 14 19 ATOM 18 C LIG 1 4.087 -0.050 0.132 0.00 0.00 +0.283 C ATOM 19 N LIG 1 2.963 0.737 0.339 0.00 0.00 -0.305 N ATOM 20 H LIG 1 2.979 1.675 -0.053 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 4.194 -1.178 0.609 0.00 0.00 -0.269 OA BRANCH 18 23 ATOM 22 C LIG 1 6.412 -0.203 -0.895 0.00 0.00 +0.095 C ATOM 23 C LIG 1 5.150 0.620 -0.758 0.00 0.00 +0.320 C ATOM 24 F LIG 1 5.481 1.852 -0.266 0.00 0.00 -0.196 F ATOM 25 F LIG 1 4.649 0.862 -2.007 0.00 0.00 -0.196 F ENDBRANCH 18 23 ENDBRANCH 14 19 ENDBRANCH 1 16 TORSDOF 3